REMARK  Name = BDB016289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.470  -1.008   2.450  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.875  -0.606   1.029  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.667  -0.267   0.293  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.955   0.154   0.889  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.765   0.435  -0.926  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.887   0.405  -1.790  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.873   1.172  -2.975  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.765   1.922  -3.355  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.632   1.908  -2.559  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.084  -0.322  -1.615  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.813  -0.167  -2.301  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.473  -1.267  -0.725  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.606  -1.745  -0.843  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.614   1.165  -1.368  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.549  -1.768   0.335  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.622   1.199  -0.603  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        1.429   0.106  -0.369  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        2.492   0.555   0.366  0.00  0.00    -0.266 N 
ATOM     19  N   LIG    1        2.421   1.884   0.616  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        1.294   2.270   0.015  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.638  -0.214   0.888  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        4.947   0.364   0.315  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        3.571  -1.708   0.507  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1        3.662  -0.116   2.426  0.00  0.00    +0.036 C 
ENDBRANCH  18  21
ENDBRANCH  14  16
TORSDOF 2